SCHEMBL3528352

SCHEMBL3528352

O=C1CC(C2CC2)=NN1c1cc(Cl)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.45
CD274 Q9NZQ7 2/20 0.45
MAPT P10636 6/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
NOTUM Q6P988 3/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 1/20 0.38
ADRA1B P35368 2/20 0.37
CASP6 P55212 2/20 0.36
HTR1A P08908 1/20 0.36
ALOX12 P18054 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3537137 0.82 HCAR1 (0.41) PDCD1CD274MAPTKMT2AMEN1
SCHEMBL22908633 0.82 PDCD1 (0.54) PDCD1CD274MAPTKMT2AMEN1
SCHEMBL3532077 0.81 KMT2A (0.64) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL3528966 0.79 NOTUM (0.40) MAPTKMT2AKDM4EGAANOTUM
SCHEMBL6757551 0.79 MAPT (0.48) PDCD1CD274MAPTKMT2AMEN1
SCHEMBL9770328 0.79 MAPT (0.66) PDCD1CD274MAPTKMT2AMEN1
SCHEMBL5464226 0.75 MAPT (0.43) PDCD1CD274MAPTKMT2AMEN1
SCHEMBL9770297 0.74 MAPT (0.60) PDCD1CD274MAPTKMT2AMEN1
SCHEMBL14559428 0.73 SHMT2 (0.43) PDCD1CD274MAPTKMT2AMEN1
SCHEMBL3527797 0.72 SLC9A1 (0.40) MAPTKMT2AMEN1LMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 PDCD1 2388/4885CD274 4108/4885MAPT 3706/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.